| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | COc1cc(cc([N+]([O-])=O)c1O)C(=O)c1ccc(C)cc1C |
| InChI | InChI | 1.06 | InChI=1S/C16H15NO5/c1-9-4-5-12(10(2)6-9)15(18)11-7-13(17(20)21)16(19)14(8-11)22-3/h4-8,19H,1-3H3 |
| InChIKey | InChI | 1.06 | WVDSVUGXNQRNDZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C)cc2C |
| SMILES | CACTVS | 3.385 | COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C)cc2C |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)C)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | Cc1ccc(c(c1)C)C(=O)c2cc(c(c(c2)OC)O)[N+](=O)[O-] |
